2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

C12H18N4O3 — CID 16883293

IUPAC2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-18-9-12(17)16-7-5-15(6-8-16)10-3-4-11(19-2)14-13-10/h3-4H,5-9H2,1-2H3
InChIKeyNUVXSAUNAFHMIQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.22
Rot. Bonds4

About 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 16883293) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID16883293
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-18-9-12(17)16-7-5-15(6-8-16)10-3-4-11(19-2)14-13-10/h3-4H,5-9H2,1-2H3
InChIKeyNUVXSAUNAFHMIQ-UHFFFAOYSA-N
XLogP-0.22
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89487848
CID 89487848
CID 20437727
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CID 16883420
CID 16883420
CID 16883423
CID 16883423
CID 100635030
CID 100635030
CID 75501963
CID 75501963
CID 75519533
CID 75519533
CID 97613959
CID 97613959
CID 92101486
CID 92101486
CID 137983003
CID 137983003
CID 154763933
CID 154763933
CID 45284010
CID 45284010

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (CID 16883293) is 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2ccc(OC)nn2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is NUVXSAUNAFHMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-9-12(17)16-7-5-15(6-8-16)10-3-4-11(19-2)14-13-10/h3-4H,5-9H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 266.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16883293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).